UCSF

ZINC52507792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Popular Name: (3R)-N1-cyclopropyl-N3-methyl-N3-[[(2S)-tetrahydropyran-2-yl]methyl]butane-1,3-diamine (3R)-N1-cyclopropyl-N3-methyl-N3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 7.56 -103.72 3 3 2 30 242.407 7 ↓
Hi High (pH 8-9.5) 1.97 5.68 -36.37 2 3 1 29 241.399 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.